1H,2H,3H,4H,5H,6H-azepino(4,5-b)indole
TL;DR: 1H,2H,3H,4H,5H,6H-azepino(4,5-b)indole (CAS 7546-78-3) is a chemical compound with molecular formula C12H14N2 and molecular weight 186.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4,5,6-hexahydroazepino[4,5-b]indole
Also Known As: 1,2,3,4,5,6-hexahydroazepino[4,5-b]indole, Azepino(4,5-b)indol, Azepino[4,5-b]indole, 1,2,3,4,5,6-hexahydro-, 1H,2H,3H,4H,5H,6H-AZEPINO[4,5-B]INDOLE, 1H,2H,3H,4H,5H,6H-azepino(4,5-b)indole
| Molecular Formula | C12H14N2 |
|---|---|
| Molecular Weight | 186.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 27.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 186.11569 |
| Heavy Atoms | 14 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 7546-78-3 |
|---|---|
| SMILES | C1CNCCC2=C1C3=CC=CC=C3N2 |
| InChIKey | NGUNYFTXLWTSNC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H,2H,3H,4H,5H,6H-azepino(4,5-b)indole (CAS 7546-78-3), with molecular formula C12H14N2 and molecular weight 186.12 g/mol. IUPAC: 1,2,3,4,5,6-hexahydroazepino[4,5-b]indole.
Chemical Property Profile of 1H,2H,3H,4H,5H,6H-azepino(4,5-b)indole
Property Insights of 1H,2H,3H,4H,5H,6H-azepino(4,5-b)indole
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H,2H,3H,4H,5H,6H-azepino(4,5-b)indole. With a topological polar surface area (TPSA) of 27.8 Ų, 1H,2H,3H,4H,5H,6H-azepino(4,5-b)indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H,2H,3H,4H,5H,6H-azepino(4,5-b)indole has 2 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1H,2H,3H,4H,5H,6H-azepino(4,5-b)indole?
The CAS number of 1H,2H,3H,4H,5H,6H-azepino(4,5-b)indole is 7546-78-3.
What is the molecular formula of 1H,2H,3H,4H,5H,6H-azepino(4,5-b)indole?
The molecular formula of 1H,2H,3H,4H,5H,6H-azepino(4,5-b)indole is C12H14N2.
What is the molecular weight of 1H,2H,3H,4H,5H,6H-azepino(4,5-b)indole?
The molecular weight of 1H,2H,3H,4H,5H,6H-azepino(4,5-b)indole is 186.12 g/mol.
Where can I buy 1H,2H,3H,4H,5H,6H-azepino(4,5-b)indole?
You can request a quote for 1H,2H,3H,4H,5H,6H-azepino(4,5-b)indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H,2H,3H,4H,5H,6H-azepino(4,5-b)indole?
Yes, KEHONG BIO provides custom synthesis services for 1H,2H,3H,4H,5H,6H-azepino(4,5-b)indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.